AB00117118-01
TL;DR: AB00117118-01 (CAS 431996-22-4) is a chemical compound with molecular formula C22H24N2O3S and molecular weight 396.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(2,4-diethoxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one
Also Known As: AB00117118-01, AN-989/40821995, (5Z)-5-[(2,4-diethoxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one, 5-(2,4-diethoxybenzylidene)-3-(3,4-dimethylphenyl)-2-thioxo-4-imidazolidinone, (5Z)-5-(2,4-diethoxybenzylidene)-3-(3,4-dimethylphenyl)-2-thioxoimidazolidin-4-one
| Molecular Formula | C22H24N2O3S |
|---|---|
| Molecular Weight | 396.15 g/mol |
| LogP | 4.36304 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.15076 |
| Heavy Atoms | 28 |
| Complexity | 952.7932 |
Chemical Identifiers
| CAS Number | 431996-22-4 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)C3=CC(=C(C=C3)C)C)OCC |
Product Overview
AB00117118-01 (CAS 431996-22-4), with molecular formula C22H24N2O3S and molecular weight 396.15 g/mol. IUPAC: (5Z)-5-[(2,4-diethoxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of AB00117118-01
Property Insights of AB00117118-01
The XLogP value of 4.36304 indicates that AB00117118-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, AB00117118-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00117118-01 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00117118-01?
The CAS number of AB00117118-01 is 431996-22-4.
What is the molecular formula of AB00117118-01?
The molecular formula of AB00117118-01 is C22H24N2O3S.
What is the molecular weight of AB00117118-01?
The molecular weight of AB00117118-01 is 396.15 g/mol.
Where can I buy AB00117118-01?
You can request a quote for AB00117118-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117118-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117118-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.